▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ZrO2 | ICSD | 79915 | Pnma (62) | ✔ | 12 | 64 | 3 | 2.7017 | 2.702 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrO2 | COD | 1010912 | P2_1/c (14) | ✔ | 12 | 64 | 3 | 2.3876 | 2.459 | 0.000 | (0;000) | ✗ | 27/01/17 |
WO2 | COD | 5910153 | Cmmm (65) | ✔ | 6 | 52 | 3 | 0.0 | 0.042 | 0.443 | (0;110) | ✗ | 27/01/17 |
ZrO2 | COD | 1522143 | P2_1/c (14) | ✔ | 12 | 64 | 3 | 3.4213 | 3.421 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrO2 | COD | 1525705 | P4_2/nmc (137) | ✔ | 6 | 32 | 3 | 2.5848 | 2.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrO2 | COD | 1525707 | Fm-3m (225) | ✔ | 3 | 16 | 3 | 2.8098 | 3.454 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrO2 | COD | 1526427 | P4_2/nmc (137) | ✔ | 6 | 32 | 3 | 3.4892 | 3.667 | 0.000 | (0;000) | ✗ | 27/01/17 |
Pb2O3 | ICSD | 36295 | P4_2/nnm (134) | ✔ | 10 | 92 | 3 | 0.0 | 0.051 | 0.190 | (1;111) | ✗ | 27/01/17 |
HfAu3 | ICSD | 611955 | Pmmn (59) | ✔ | 8 | 90 | 3 | 0.0 | 0.000 | 0.820 | (1;000) | ✗ | 05/01/17 |
PbSO3 | COD | 9009622 | P2_1/m (11) | ✔ | 10 | 76 | 3 | 2.8374 | 2.837 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiPbO3 | COD | 9011193 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 1.6718 | 1.692 | 0.000 | (0;000) | ✗ | 27/01/17 |
Al2CdSe4 | ICSD | 51422 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.9423 | 1.942 | 0.000 | (0;000) | ✗ | 06/10/16 |
GaCuSe2 | ICSD | 247513 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.2787 | 0.279 | 0.000 | (0;000) | ✔ | 07/10/16 |
GaCuTe2 | ICSD | 28738 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.2411 | 0.241 | 0.000 | (0;000) | ✔ | 07/10/16 |
Al2CdSe4 | ICSD | 83527 | I-4 (82) | ✗ | 7 | 42 | 3 | 2.1509 | 2.151 | 0.000 | (0;000) | ✗ | 06/10/16 |
InCuS2 | ICSD | 186714 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.2824 | 0.282 | 0.000 | (0;000) | ✔ | 07/10/16 |
ReO3 | ICSD | 77680 | P4/mbm (127) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.791 | (0;110) | ✗ | 27/01/17 |
Rh2O3 | ICSD | 647369 | R-3c (167) | ✔ | 10 | 104 | 3 | 0.7851 | 0.985 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rh2O3 | COD | 1010584 | R-3c (167) | ✔ | 10 | 104 | 3 | 0.0 | 0.034 | 0.291 | (0;000) | ✗ | 27/01/17 |
SrRuO3 | ICSD | 162777 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.0 | 0.000 | 0.837 | (1;000) | ✗ | 27/01/17 |
SrRuO3 | ICSD | 86940 | I4/mcm (140) | ✔ | 10 | 88 | 3 | 0.0 | 0.011 | 0.547 | (0;000) | ✗ | 27/01/17 |
InCuSe2 | ICSD | 154405 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.018 | 0.011 | (1;000) | ✔ | 07/10/16 |
SrSiO3 | ICSD | 248973 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 4.9596 | 5.574 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrSnO3 | ICSD | 153532 | I4/mcm (140) | ✔ | 10 | 84 | 3 | 1.4616 | 1.462 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrSnO3 | ICSD | 27047 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 1.766 | 2.562 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnSnO3 | ICSD | 50404 | R-3 (148) | ✔ | 10 | 88 | 3 | 1.5281 | 1.579 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrTiO3 | COD | 9006864 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 1.9101 | 2.241 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrZrO3 | ICSD | 89362 | I4/mcm (140) | ✔ | 10 | 64 | 3 | 3.0289 | 3.029 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrZrO3 | COD | 1010901 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 0.0 | 0.007 | 0.627 | (0;000) | ✗ | 27/01/17 |
SrZrO3 | COD | 1521389 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 2.9809 | 2.981 | 0.000 | (0;000) | ✗ | 27/01/17 |
TeO3 | COD | 7035629 | R-3c (167) | ✔ | 8 | 48 | 3 | 1.4975 | 1.547 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ti2O3 | COD | 1010582 | R-3c (167) | ✔ | 10 | 84 | 3 | 0.0 | 0.017 | 0.140 | (0;000) | ✗ | 27/01/17 |
Ti2O3 | COD | 9008082 | R-3c (167) | ✔ | 10 | 84 | 3 | 0.0 | 0.006 | 0.366 | (1;000) | ✗ | 27/01/17 |
V2O3 | COD | 1011066 | R-3c (167) | ✔ | 10 | 88 | 3 | 0.0 | 0.000 | 0.536 | (1;000) | ✗ | 27/01/17 |
V2O3 | COD | 9014893 | R-3c (167) | ✔ | 10 | 88 | 3 | 0.0 | 0.006 | 0.299 | (1;000) | ✗ | 27/01/17 |
WO3 | ICSD | 183408 | Pm-3m (221) | ✔ | 4 | 32 | 3 | 0.4293 | 1.461 | 0.000 | (0;000) | ✗ | 27/01/17 |
WO3 | COD | 1004057 | P6/mmm (191) | ✔ | 12 | 96 | 3 | 0.5769 | 1.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
WO3 | ICSD | 67749 | Pm-3m (221) | ✔ | 4 | 32 | 3 | 0.5514 | 1.584 | 0.000 | (0;000) | ✗ | 27/01/17 |
Y2O3 | ICSD | 192864 | P-3m1 (164) | ✔ | 5 | 40 | 3 | 3.7363 | 4.341 | 0.000 | (0;000) | ✗ | 27/01/17 |
Y2O3 | ICSD | 181826 | C2/m (12) | ✔ | 15 | 120 | 3 | 4.1158 | 4.327 | 0.000 | (0;000) | ✗ | 27/01/17 |
Pd2PbO4 | ICSD | 263049 | I4_1/a (88) | ✔ | 14 | 148 | 3 | 0.0 | 0.023 | 0.457 | (1;111) | ✗ | 27/01/17 |
Y(PdO2)2 | ICSD | 78846 | I4_1/a (88) | ✔ | 14 | 142 | 3 | 0.0 | 0.000 | 0.696 | (1;111) | ✗ | 27/01/17 |
SrPd3O4 | COD | 1008074 | Pm-3n (223) | ✔ | 16 | 176 | 3 | 0.0 | 0.029 | 0.123 | (0;000) | ✗ | 27/01/17 |
PdSeO4 | ICSD | 416646 | C2/c (15) | ✔ | 12 | 96 | 3 | 1.2734 | 1.404 | 0.000 | (0;000) | ✗ | 27/01/17 |
PdSO4 | ICSD | 79559 | C2/c (15) | ✔ | 12 | 96 | 3 | 1.1467 | 1.229 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zn2PdO4 | ICSD | 30076 | Fd-3m (227) | ✔ | 14 | 132 | 3 | 0.0 | 0.000 | 0.344 | (0;000) | ✗ | 27/01/17 |
BePo | ICSD | 58730 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.8057 | 1.059 | 0.000 | (0;000) | ✗ | 06/10/16 |
ScPO4 | COD | 2310638 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 4.4694 | 4.641 | 0.000 | (0;000) | ✗ | 27/01/17 |
Pt3O4 | ICSD | 27836 | Im-3m (229) | ✔ | 7 | 54 | 3 | 0.0 | 0.000 | 0.753 | (1;111) | ✗ | 27/01/17 |
Pt3O4 | COD | 1008965 | Pm-3n (223) | ✔ | 14 | 108 | 3 | 0.0 | 0.001 | 0.680 | (1;000) | ✗ | 27/01/17 |
TlPO4 | COD | 2310637 | Cmcm (63) | ✔ | 12 | 84 | 3 | 1.5218 | 1.905 | 0.000 | (0;000) | ✗ | 27/01/17 |
VPO4 | ICSD | 82284 | Cmcm (63) | ✔ | 12 | 84 | 3 | 0.0 | 0.011 | 0.438 | (0;000) | ✗ | 27/01/17 |
YPO4 | COD | 9001654 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 5.9664 | 6.176 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zn(RhO2)2 | ICSD | 109298 | Fd-3m (227) | ✔ | 14 | 140 | 3 | 0.9258 | 0.934 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeGe | ICSD | 43055 | C2/m (12) | ✔ | 8 | 48 | 3 | 0.0 | 0.008 | 0.869 | (1;011) | ✔ | 06/10/16 |
ScVO4 | COD | 4501809 | I4_1/amd (141) | ✔ | 12 | 96 | 3 | 2.6191 | 2.619 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrSiO4 | COD | 9002561 | I4_1/amd (141) | ✔ | 12 | 64 | 3 | 4.4361 | 4.633 | 0.000 | (0;000) | ✗ | 27/01/17 |
Al2CdTe4 | ICSD | 25640 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.4572 | 1.457 | 0.000 | (0;000) | ✗ | 06/10/16 |
InCuTe2 | ICSD | 169048 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.018 | 0.004 | (1;000) | ✔ | 07/10/16 |
YTaO4 | ICSD | 109190 | C2/c (15) | ✔ | 12 | 96 | 3 | 4.321 | 4.479 | 0.000 | (0;000) | ✗ | 27/01/17 |
YTaO4 | COD | 1530908 | P2/c (13) | ✔ | 12 | 96 | 3 | 2.4657 | 2.660 | 0.000 | (0;000) | ✗ | 27/01/17 |
V2ZnO4 | COD | 9012331 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.0 | 0.000 | 0.451 | (0;000) | ✗ | 27/01/17 |
YVO4 | ICSD | 174550 | I4_1/a (88) | ✔ | 12 | 96 | 3 | 3.5058 | 3.536 | 0.000 | (0;000) | ✗ | 27/01/17 |
YVO4 | COD | 9009764 | I4_1/amd (141) | ✔ | 12 | 96 | 3 | 2.9575 | 2.958 | 0.000 | (0;000) | ✗ | 27/01/17 |
SbPO5 | COD | 1530584 | C2/c (15) | ✔ | 14 | 80 | 3 | 3.0941 | 3.094 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaPO5 | ICSD | 87281 | P4/n (85) | ✔ | 14 | 96 | 3 | 4.0586 | 4.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
V2PO5 | ICSD | 79681 | I4_1/amd (141) | ✔ | 16 | 122 | 3 | 0.0 | 0.000 | 0.725 | (1;111) | ✗ | 27/01/17 |
VPO5 | ICSD | 108983 | P4/n (85) | ✔ | 14 | 96 | 3 | 1.0535 | 1.201 | 0.000 | (0;000) | ✗ | 27/01/17 |
VPO5 | ICSD | 425536 | P4/n (85) | ✔ | 14 | 96 | 3 | 2.1052 | 2.158 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiCuO | ICSD | 188520 | I-4m2 (119) | ✗ | 12 | 80 | 3 | 1.4772 | 1.679 | 0.000 | (0;000) | ✗ | 07/10/16 |
YAu3 | ICSD | 612464 | Pmmn (59) | ✔ | 8 | 88 | 3 | 0.0 | 0.008 | 0.601 | (1;000) | ✗ | 05/01/17 |
Sb2O5 | COD | 9011205 | C2/c (15) | ✔ | 14 | 80 | 3 | 0.9086 | 0.925 | 0.000 | (0;000) | ✗ | 27/01/17 |
VSO5 | COD | 1528702 | P4/n (85) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.944 | (0;000) | ✗ | 27/01/17 |
Ta2O5 | ICSD | 95462 | Pmmm (47) | ✔ | 7 | 56 | 3 | 0.0961 | 0.371 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ta2O5 | COD | 2102123 | C2/c (15) | ✔ | 14 | 112 | 3 | 3.6486 | 3.867 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ti4O5 | ICSD | 77697 | I4/m (87) | ✔ | 9 | 78 | 3 | 0.0 | 0.006 | 0.832 | (1;111) | ✗ | 27/01/17 |
CuPN2 | ICSD | 194793 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.872 | 2.098 | 0.000 | (0;000) | ✗ | 07/10/16 |
NaCuO | ICSD | 188521 | I-4m2 (119) | ✗ | 12 | 104 | 3 | 1.1158 | 1.205 | 0.000 | (0;000) | ✗ | 07/10/16 |
ZrAu3 | ICSD | 612509 | Pmmn (59) | ✔ | 8 | 74 | 3 | 0.0 | 0.000 | 0.803 | (1;000) | ✗ | 05/01/17 |
V3O5 | COD | 1527091 | C2/c (15) | ✔ | 16 | 138 | 3 | 0.0 | 0.000 | 0.744 | (1;011) | ✗ | 27/01/17 |
ScTa(PbO3)2 | ICSD | 77739 | Fm-3m (225) | ✔ | 10 | 88 | 3 | 2.2483 | 2.248 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sb2PbO6 | COD | 1530091 | P-31m (162) | ✔ | 9 | 60 | 3 | 2.031 | 2.416 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zn(PtO2)3 | ICSD | 35339 | Cmmm (65) | ✔ | 10 | 78 | 3 | 0.1944 | 0.194 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2YReO6 | ICSD | 25404 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 0.0 | 0.000 | 0.584 | (0;000) | ✗ | 27/01/17 |
Zr6Al2Fe | ICSD | 402701 | P-62m (189) | ✗ | 9 | 38 | 3 | 0.0 | 0.000 | 0.867 | (1;100) | ✔ | 06/10/16 |
TlCuS2 | ICSD | 28742 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.014 | 0.072 | (1;000) | ✔ | 07/10/16 |
Sr2YSbO6 | ICSD | 157886 | Fm-3m (225) | ✔ | 10 | 72 | 3 | 3.803 | 3.803 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2YTaO6 | ICSD | 247458 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 3.5326 | 3.533 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2ZrTiO6 | ICSD | 190548 | I4/m (87) | ✔ | 10 | 72 | 3 | 2.6501 | 2.673 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2ZnWO6 | ICSD | 28599 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 0.0 | 0.128 | 0.064 | (0;000) | ✗ | 27/01/17 |
Ta2VO6 | COD | 1001151 | P4_2/mnm (136) | ✔ | 18 | 150 | 3 | 0.0 | 0.000 | 0.871 | (0;000) | ✗ | 27/01/17 |
V2WO6 | COD | 1008912 | P4_2/mnm (136) | ✔ | 18 | 152 | 3 | 0.0 | 0.001 | 0.542 | (0;110) | ✗ | 27/01/17 |
V2ZnO6 | ICSD | 30880 | C2/m (12) | ✔ | 9 | 74 | 3 | 2.3293 | 2.384 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiP2O7 | ICSD | 423437 | P2_1/c (14) | ✔ | 20 | 112 | 3 | 5.4719 | 5.472 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zn2P2O7 | ICSD | 24153 | C2/m (12) | ✔ | 11 | 76 | 3 | 3.6804 | 4.229 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sc2Si2O7 | COD | 1528085 | C2/m (12) | ✔ | 11 | 72 | 3 | 4.4236 | 4.615 | 0.000 | (0;000) | ✗ | 27/01/17 |
Y2Si2O7 | COD | 2013549 | C2/m (12) | ✔ | 11 | 72 | 3 | 4.9676 | 4.968 | 0.000 | (0;000) | ✗ | 27/01/17 |
V2Zn2O7 | ICSD | 250002 | C2/m (12) | ✔ | 11 | 92 | 3 | 2.8851 | 3.204 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlCuSe2 | ICSD | 28743 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.014 | 0.004 | (1;000) | ✔ | 07/10/16 |
Hf6Al2Pt | ICSD | 261007 | P-62m (189) | ✗ | 9 | 88 | 3 | 0.0 | 0.000 | 0.878 | ? | ✗ | 06/10/16 |